CID 75480425

3-fluoro-4-methoxy-2-methylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H8ClFO3S
SMILES
CC1=C(C=CC(=C1F)OC)S(=O)(=O)Cl
InChI
InChI=1S/C8H8ClFO3S/c1-5-7(14(9,11)12)4-3-6(13-2)8(5)10/h3-4H,1-2H3
InChIKey
BELVUVMOPNDPCJ-UHFFFAOYSA-N
Compound name
3-fluoro-4-methoxy-2-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

237.98666 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.99394 140.7
[M+Na]+ 260.97588 152.6
[M-H]- 236.97938 144.5
[M+NH4]+ 256.02048 160.5
[M+K]+ 276.94982 148.5
[M+H-H2O]+ 220.98392 135.9
[M+HCOO]- 282.98486 154.2
[M+CH3COO]- 297.00051 186.9
[M+Na-2H]- 258.96133 144.1
[M]+ 237.98611 146.7
[M]- 237.98721 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe